ID: ALA4214319
Chembl Id: CHEMBL4214319
PubChem CID: 101664514
Max Phase: Preclinical
Molecular Formula: C23H24O6
Molecular Weight: 396.44
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: C=CC(C)(C)c1cc(O)c(O)c2c(=O)c3cc(CC=C(C)C)c(O)c(O)c3oc12
Standard InChI: InChI=1S/C23H24O6/c1-6-23(4,5)14-10-15(24)19(27)16-18(26)13-9-12(8-7-11(2)3)17(25)20(28)21(13)29-22(14)16/h6-7,9-10,24-25,27-28H,1,8H2,2-5H3
Standard InChI Key: ZJSCTRPDQUMQKM-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Natural Product: Yes | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 396.44 | Molecular Weight (Monoisotopic): 396.1573 | AlogP: 4.74 | #Rotatable Bonds: 4 |
| Polar Surface Area: 111.13 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 4 |
| #RO5 Violations: ┄ | HBA (Lipinski): 6 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 7.35 | CX Basic pKa: ┄ | CX LogP: 5.81 | CX LogD: 5.47 |
| Aromatic Rings: 3 | Heavy Atoms: 29 | QED Weighted: 0.29 | Np Likeness Score: 2.29 |
| 1. Li Y, Zhao P, Chen Y, Fu Y, Shi K, Liu L, Liu H, Xiong M, Liu QH, Yang G, Xiao Y.. (2017) Depsidone and xanthones from Garcinia xanthochymus with hypoglycemic activity and the mechanism of promoting glucose uptake in L6 myotubes., 25 (24): [PMID:29128163] [10.1016/j.bmc.2017.10.043] |
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